ethanedioic acid; (1R)-1-(6-methoxyquinolin-4-yl)-2-(4-octylpiperazin-1-yl)ethanol

Systemtic Name: ethanedioic acid; (1R)-1-(6-methoxyquinolin-4-yl)-2-(4-octylpiperazin-1-yl)ethanol Openeye Name: (1R)-1-(6-methoxy-4-quinolyl)-2-(4-octylpiperazin-1-yl)ethanol; oxalic acid CAS Name: (1R)-1-(6-methoxy-4-quinolinyl)-2-(4-octyl-1-piperazinyl)ethanol; oxalic acid IUPAC Name: (1R)-1-(6-methoxyquinolin-4-yl)-2-(4-octylpiperazin-1-yl)ethanol; oxalic acid Traditional Name: (1R)-1-(6-methoxy-4-quinolyl)-2-(4-octylpiperazino)ethanol; oxalic acid Formula: C26H39N3O6 MolecularWeight: 489.60436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCN(CC1)CC(C2=C3C=C(C=CC3=NC=C2)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCN1CCN(CC1)C[C@@H](C2=C3C=C(C=CC3=NC=C2)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H37N3O2.C2H2O4/c1-3-4-5-6-7-8-13-26-14-16-27(17-15-26)19-24(28)21-11-12-25-23-10-9-20(29-2)18-22(21)23;3-1(4)2(5)6/h9-12,18,24,28H,3-8,13-17,19H2,1-2H3;(H,3,4)(H,5,6)/t24-;/m0./s1